天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 347146-14-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 347146-14-9
Chemical Structure| 347146-14-9
Structure of 347146-14-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 347146-14-9 ]

Related Doc. of [ 347146-14-9 ]

Alternatived Products of [ 347146-14-9 ]
Product Citations

Product Details of [ 347146-14-9 ]

CAS No. :347146-14-9 MDL No. :MFCD19703864
Formula : C12H10BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :GTEFIYMEQZHVDD-UHFFFAOYSA-N
M.W : 280.12 Pubchem ID :22674138
Synonyms :

Calculated chemistry of [ 347146-14-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.17
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 65.53
TPSA : 39.19 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.69
Log Po/w (XLOGP3) : 3.1
Log Po/w (WLOGP) : 3.17
Log Po/w (MLOGP) : 2.59
Log Po/w (SILICOS-IT) : 3.32
Consensus Log Po/w : 2.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.79
Solubility : 0.045 mg/ml ; 0.000161 mol/l
Class : Soluble
Log S (Ali) : -3.59
Solubility : 0.0718 mg/ml ; 0.000256 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.03
Solubility : 0.00261 mg/ml ; 0.00000931 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.72

Safety of [ 347146-14-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 347146-14-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 347146-14-9 ]

[ 347146-14-9 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 35975-57-6 ]
  • [ 347146-14-9 ]
YieldReaction ConditionsOperation in experiment
With acetic acid; trichlorophosphate; In 1,4-dioxane; ethyl acetate; Preparation Example 4 3-Carbethoxy-8-bromoquinoline A mixture of 2.5 g (8.4 mmol) of <strong>[35975-57-6]3-carbethoxy-4-hydroxy-8-bromoquinoline</strong> and 10 ml of phosphorus oxychloride was heated under reflux for 1 hour. After the completion of the reaction, phosphorus oxychloride was removed and the residue was purified by NH silica gel, to give 2.6 g of a chlorinated derivative. Next, 500 mg (1.6 mmol) of the chlorinated derivative was dissolved in 20 ml of dioxane, and 1 g of powdered zinc and 3 ml of acetic acid were added thereto, followed by heating at 65 C. for 30 minutes. To the reaction mixture was added ethyl acetate, followed by filtering through Celite. The filtrate was washed with brine, dried over magnesium sulfate and concentrated. To the residue was added 1 ml of acetic acid, and the mixture was left stand for 12 hours. Then, acetic acid was removed, and the residue was subjected to silica gel column chromatography and eluted with an eluent (ethyl acetate-n-hexane=1-7), to give 180 mg of the title compound. 1H-NMR (CDCl3) delta (ppm): 1.47 (3H, t, J17.2 Hz), 4.50 (2H, q, J=7.2 Hz), 7.50 (1H, t, J=7.6 Hz), 7.93 (1H, dd, J=1.2 Hz, 7.6 Hz), 8.18 (1H, dd, J=1.2 Hz, 7.6 Hz), 8.85 (1H, d, J=2 Hz), 9.57 (1H, d, J=2 Hz).
  • 2
  • [ 35975-57-6 ]
  • [ 7440-66-6 ]
  • [ 347146-14-9 ]
YieldReaction ConditionsOperation in experiment
With acetic acid; trichlorophosphate; In 1,4-dioxane; ethyl acetate; Production Example 4b 3-Carbethoxy-8-bromoquinoline A mixture of 2.5 g (8.4 mmol) of <strong>[35975-57-6]3-carbethoxy-4-hydroxy-8-bromoquinoline</strong> and 10 ml of phosphorous oxychloride was heated under reflux for one hour. After the reaction was completed, phosphorous oxychloride was removed and the residue was purified by NH silica gel, to give 2.6 g of a chloro-compound. Next, 500 mg (1.6 mmol) of the chloro-compound was dissolved in 20 ml of dioxane, 1 g of zinc powder and 3 ml of acetic acid were adaded thereto, followed by heating at 65C for 30 minutes. Ethyl acetate was added to the reaction solution, and the mixture was filtered through Celite. The filtrate was washed with brine, dried over magnesium sulfate and concentrated. To the residue was added 1 ml of acetic acid, and the mixture was allowed to stand for 12 hours and then acetic acid was removed. The residue was subjected to silica gel column chromatography, and eluted with the solvent (ethyl acetate/n-hexane=1/7), to give obtaining 180 mg of the title compound. 1H-NMR(CDCl3) delta (ppm): 1.47(3H,t,J=7.2Hz), 4.50(2H, q, J=7.2Hz),7.50(1H, t, J=7.6Hz), 7.93(1H, dd, J=1.2Hz, 7.6Hz), 8.18(1H, dd, J=1.2Hz, 7.6Hz), 8.85(1H, d, J=2Hz), 9.57 (1H, d, J=2Hz).
With acetic acid; trichlorophosphate; In 1,4-dioxane; ethyl acetate; PRODUCTION EXAMPLE 4b 3-Carbethoxy-8-bromoquinoline A mixture of 2.5 g (8.4 mmol) of <strong>[35975-57-6]3-carbethoxy-4-hydroxy-8-bromoquinoline</strong> and 10 ml of phosphorous oxychloride was heated under reflux for one hour. After the reaction was completed, phosphorous oxychloride was removed and the residue was purified by NH silica gel, to give 2.6 g of a chloro-compound. Next, 500 mg (1.6 mmol) of the chloro-compound was dissolved in 20 ml of dioxane, 1 g of zinc powder and 3 ml of acetic acid were adaded thereto, followed by heating at 65 C. for 30 minutes. Ethyl acetate was added to the reaction solution, and the mixture was filtered through Celite. The filtrate was washed with brine, dried over magnesium sulfate and concentrated. To the residue was added 1 ml of acetic acid, and the mixture was allowed to stand for 12 hours and then acetic acid was removed. The residue was subjected to silica gel column chromatography, and eluted with the solvent (ethyl acetate/n-hexane=1/7), to give obtaining 180 mg of the title compound. 1H-NMR(CDCl3) delta (ppm): 1.47(3H, t, J=7.2 Hz), 4.50(2H, q, J=7.2 Hz), 7.50(1H, t, J=7.6 Hz), 7.93(1H, dd, J=1.2 Hz, 7.6Hz), 8.18(1H, dd, J=1.2 Hz, 7.6 Hz), 8.85(1H, d, J=2 Hz), 9.57 (1H, d, J=2Hz).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 347146-14-9 ]

Bromides

Chemical Structure| 481054-89-1

[ 481054-89-1 ]

Ethyl 6-bromoquinoline-3-carboxylate

Similarity: 0.94

Chemical Structure| 1588441-16-0

[ 1588441-16-0 ]

8-Bromoquinoline-3-carboxylic acid hydrate

Similarity: 0.92

Chemical Structure| 1220418-77-8

[ 1220418-77-8 ]

Methyl 6-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 1001756-23-5

[ 1001756-23-5 ]

Methyl 7-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 347146-16-1

[ 347146-16-1 ]

8-Bromoquinoline-3-carboxylic acid

Similarity: 0.92

Esters

Chemical Structure| 481054-89-1

[ 481054-89-1 ]

Ethyl 6-bromoquinoline-3-carboxylate

Similarity: 0.94

Chemical Structure| 1220418-77-8

[ 1220418-77-8 ]

Methyl 6-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 1001756-23-5

[ 1001756-23-5 ]

Methyl 7-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 253787-45-0

[ 253787-45-0 ]

Methyl 8-bromoquinoline-5-carboxylate

Similarity: 0.91

Chemical Structure| 35975-57-6

[ 35975-57-6 ]

Ethyl 8-bromo-4-hydroxyquinoline-3-carboxylate

Similarity: 0.91

Related Parent Nucleus of
[ 347146-14-9 ]

Quinolines

Chemical Structure| 481054-89-1

[ 481054-89-1 ]

Ethyl 6-bromoquinoline-3-carboxylate

Similarity: 0.94

Chemical Structure| 1588441-16-0

[ 1588441-16-0 ]

8-Bromoquinoline-3-carboxylic acid hydrate

Similarity: 0.92

Chemical Structure| 1220418-77-8

[ 1220418-77-8 ]

Methyl 6-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 1001756-23-5

[ 1001756-23-5 ]

Methyl 7-bromoquinoline-3-carboxylate

Similarity: 0.92

Chemical Structure| 347146-16-1

[ 347146-16-1 ]

8-Bromoquinoline-3-carboxylic acid

Similarity: 0.92

; ;